vars_list.h File Reference

declaration of variables used in the program. More...

#include "kids/Shape.h"
#include "kids/Types.h"
#include "kids/Variable.h"

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Namespaces
namespace	PROJECT_NS
	< http://warp.povusers.org/FunctionParser/fparser.html
namespace	PROJECT_NS::Dimension
	Dimension namespace locates read parameters for system size.
namespace	PROJECT_NS::DATA
namespace	PROJECT_NS::DATA::init
namespace	PROJECT_NS::DATA::integrator
namespace	PROJECT_NS::DATA::integrator::GWP
namespace	PROJECT_NS::DATA::integrator::nhc
namespace	PROJECT_NS::DATA::integrator::param
namespace	PROJECT_NS::DATA::integrator::tmp
namespace	PROJECT_NS::DATA::iter
namespace	PROJECT_NS::DATA::last
namespace	PROJECT_NS::DATA::model
namespace	PROJECT_NS::DATA::model::bath
namespace	PROJECT_NS::DATA::model::coupling
namespace	PROJECT_NS::DATA::model::rep
namespace	PROJECT_NS::DATA::random

Functions
void	PROJECT_NS::Dimension::static_build_shapes ()

Variables
std::size_t	PROJECT_NS::Dimension::M
	Number of Monte Carlo calculations.
std::size_t	PROJECT_NS::Dimension::P
	Number of parallel trajectories (swarms of trajectories) in each Monte Carlo run.
std::size_t	PROJECT_NS::Dimension::N
	Number of nuclear degrees of freedom.
std::size_t	PROJECT_NS::Dimension::F
	Number of electronic degrees of freedom.
std::size_t	PROJECT_NS::Dimension::MP
	Product of M and P (M * P).
std::size_t	PROJECT_NS::Dimension::PP
	Product of P and P (P * P).
std::size_t	PROJECT_NS::Dimension::PN
	Product of P and N (P * N).
std::size_t	PROJECT_NS::Dimension::PNN
	Product of P, N, and N (P * N * N).
std::size_t	PROJECT_NS::Dimension::PF
	Product of P and F (P * F).
std::size_t	PROJECT_NS::Dimension::PFF
	Product of P, F, and F (P * F * F).
std::size_t	PROJECT_NS::Dimension::PNFF
	Product of P, N, F, and F (P * N * F * F).
std::size_t	PROJECT_NS::Dimension::NF
	Product of N and F (N * F).
std::size_t	PROJECT_NS::Dimension::NN
	Product of N and N (N * N).
std::size_t	PROJECT_NS::Dimension::FF
	Product of F and F (F * F).
std::size_t	PROJECT_NS::Dimension::NFF
	Product of N, F, and F (N * F * F).
std::size_t	PROJECT_NS::Dimension::NNFF
	Product of N, N, F, and F (N * N * F * F).
std::size_t	PROJECT_NS::Dimension::Fadd1
	F plus 1 (F + 1).
Shape	PROJECT_NS::Dimension::shape_1
	Shape corresponding to a single element (1).
Shape	PROJECT_NS::Dimension::shape_2
	Shape corresponding to two elements (2).
Shape	PROJECT_NS::Dimension::shape_X
	Shape for an arbitrary number of elements.
Shape	PROJECT_NS::Dimension::shape_M
	Shape for the number of Monte Carlo calculations (M).
Shape	PROJECT_NS::Dimension::shape_P
	Shape for the number of parallel trajectories (P).
Shape	PROJECT_NS::Dimension::shape_N
	Shape for the number of nuclear degrees of freedom (N).
Shape	PROJECT_NS::Dimension::shape_F
	Shape for the number of electronic degrees of freedom (F).
Shape	PROJECT_NS::Dimension::shape_Fadd1
	Shape for F plus 1 (F + 1).
Shape	PROJECT_NS::Dimension::shape_MP
	Shape for the product of M and P (M * P).
Shape	PROJECT_NS::Dimension::shape_PP
	Shape for the product of P and P (P * P).
Shape	PROJECT_NS::Dimension::shape_PN
	Shape for the product of P and N (P * N).
Shape	PROJECT_NS::Dimension::shape_PNN
	Shape for the product of P, N, and N (P * N * N).
Shape	PROJECT_NS::Dimension::shape_PF
	Shape for the product of P and F (P * F).
Shape	PROJECT_NS::Dimension::shape_PFF
	Shape for the product of P, F, and F (P * F * F).
Shape	PROJECT_NS::Dimension::shape_PNFF
	Shape for the product of P, N, F, and F (P * N * F * F).
Shape	PROJECT_NS::Dimension::shape_NF
	Shape for the product of N and F (N * F).
Shape	PROJECT_NS::Dimension::shape_NN
	Shape for the product of N and N (N * N).
Shape	PROJECT_NS::Dimension::shape_FF
	Shape for the product of F and F (F * F).
Shape	PROJECT_NS::Dimension::shape_NFF
	Shape for the product of N, F, and F (N * F * F).
Shape	PROJECT_NS::Dimension::shape_NNFF
	Shape for the product of N, N, F, and F (N * N * F * F).
VARIABLE< kids_real >	PROJECT_NS::DATA::init::Etot
VARIABLE< kids_real >	PROJECT_NS::DATA::init::p
VARIABLE< kids_real >	PROJECT_NS::DATA::init::x
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Acoeff
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::E
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::Ekin
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::Epot
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::Etot
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::GWP::L
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::GWP::L1
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::GWP::L2
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::R
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::R1
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::R2
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::S1
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::S1h
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::S2
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::S2h
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::Sx
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::invS1h
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::GWP::invS2h
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Hbasis
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Hcoeff
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K0
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K1
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K1DA
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K1DD
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K1QA
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K1QD
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K2
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K2DA
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K2DD
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K2QA
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::K2QD
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::OpA
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::OpB
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::P_used
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::S
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Sele
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Snuc
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::U
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::UXdt
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::UYdt
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Ubranch
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Udt
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::Xcoeff
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::alpha
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::c
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::c1
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::c2p
VARIABLE< kids_int >	PROJECT_NS::DATA::integrator::clone_account
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::dtAcoeff
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::dtSele
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::dtlnSnuc
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::f
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::fadd
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::g
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::invS
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::m
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::minv
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::nhc::G
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::nhc::Q
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::nhc::p
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::nhc::x
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::norm
VARIABLE< kids_int >	PROJECT_NS::DATA::integrator::occ_nuc
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::p
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::p_sign
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::param::c1
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::param::c2p
VARIABLE< kids_bint >	PROJECT_NS::DATA::integrator::pf_cross
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::rho_dual
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::rho_ele
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::rho_nuc
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::rhored
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::rhored2
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::rhored3
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::sqcIA
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::sqcID
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::sqcw
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::sqcw0
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::sqcwh
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::tmp::I_PP
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::tmp::MatC_PP
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::tmp::MatR_PP
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::tmp::TtTold
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::tmp::direction
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::tmp::fproj
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::tmp::ftmp
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::tmp::fun_diag_F
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::tmp::fun_diag_P
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::tmp::invexpidiagdt
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::tmp::ve
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::tmp::vedE
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::tmp::wrho
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::veF
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::w
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::w_AA
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::w_AD
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::w_CC
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::w_CP
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::w_DD
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::w_PP
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::ww_A
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::ww_D
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::wz_A
VARIABLE< kids_complex >	PROJECT_NS::DATA::integrator::wz_D
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::x
VARIABLE< kids_real >	PROJECT_NS::DATA::integrator::xgrid
VARIABLE< kids_bint >	PROJECT_NS::DATA::iter::at_samplingstep_finally
VARIABLE< kids_bint >	PROJECT_NS::DATA::iter::at_samplingstep_initially
VARIABLE< kids_real >	PROJECT_NS::DATA::iter::dt
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::dtsize
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::fail_type
VARIABLE< kids_bint >	PROJECT_NS::DATA::iter::frez
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::isamp
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::istep
VARIABLE< kids_bint >	PROJECT_NS::DATA::iter::last_attempt
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::msize
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::nsamp
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::nstep
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::sstep
VARIABLE< kids_bint >	PROJECT_NS::DATA::iter::succ
VARIABLE< kids_real >	PROJECT_NS::DATA::iter::t
VARIABLE< kids_int >	PROJECT_NS::DATA::iter::tsize
VARIABLE< kids_real >	PROJECT_NS::DATA::last::Etot
VARIABLE< kids_complex >	PROJECT_NS::DATA::last::c
VARIABLE< kids_real >	PROJECT_NS::DATA::last::dV
VARIABLE< kids_real >	PROJECT_NS::DATA::last::g
VARIABLE< kids_real >	PROJECT_NS::DATA::last::grad
VARIABLE< kids_real >	PROJECT_NS::DATA::last::p
VARIABLE< kids_real >	PROJECT_NS::DATA::last::x
VARIABLE< kids_real >	PROJECT_NS::DATA::model::Hsys
VARIABLE< kids_real >	PROJECT_NS::DATA::model::Tmod
VARIABLE< kids_real >	PROJECT_NS::DATA::model::V
VARIABLE< kids_int >	PROJECT_NS::DATA::model::atoms
VARIABLE< kids_real >	PROJECT_NS::DATA::model::bath::coeffs
VARIABLE< kids_real >	PROJECT_NS::DATA::model::bath::omegas
VARIABLE< kids_real >	PROJECT_NS::DATA::model::bath::p_sigma
VARIABLE< kids_real >	PROJECT_NS::DATA::model::bath::x_sigma
VARIABLE< kids_real >	PROJECT_NS::DATA::model::coupling::CL
VARIABLE< kids_real >	PROJECT_NS::DATA::model::coupling::Q
VARIABLE< kids_real >	PROJECT_NS::DATA::model::coupling::QL
VARIABLE< kids_real >	PROJECT_NS::DATA::model::coupling::Xnj
VARIABLE< kids_real >	PROJECT_NS::DATA::model::dV
VARIABLE< kids_real >	PROJECT_NS::DATA::model::ddV
VARIABLE< kids_real >	PROJECT_NS::DATA::model::f_p
VARIABLE< kids_real >	PROJECT_NS::DATA::model::f_r
VARIABLE< kids_real >	PROJECT_NS::DATA::model::f_rp
VARIABLE< kids_real >	PROJECT_NS::DATA::model::grad
VARIABLE< kids_real >	PROJECT_NS::DATA::model::hess
VARIABLE< kids_real >	PROJECT_NS::DATA::model::kcoeff
VARIABLE< kids_real >	PROJECT_NS::DATA::model::lcoeff
VARIABLE< kids_real >	PROJECT_NS::DATA::model::mass
VARIABLE< kids_real >	PROJECT_NS::DATA::model::p0
VARIABLE< kids_real >	PROJECT_NS::DATA::model::p_sigma
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::E
VARIABLE< kids_complex >	PROJECT_NS::DATA::model::rep::H
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::L
VARIABLE< kids_complex >	PROJECT_NS::DATA::model::rep::R
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::T
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::Told
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::dE
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::ddE
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::nac
VARIABLE< kids_real >	PROJECT_NS::DATA::model::rep::nac_prev
VARIABLE< kids_real >	PROJECT_NS::DATA::model::vpes
VARIABLE< kids_real >	PROJECT_NS::DATA::model::w
VARIABLE< kids_real >	PROJECT_NS::DATA::model::x0
VARIABLE< kids_real >	PROJECT_NS::DATA::model::x_sigma
VARIABLE< kids_int >	PROJECT_NS::DATA::random::seed

Detailed Description

declaration of variables used in the program.

Author

Xin He

Date

2024-03

Version

1.0

Copyright

GNU Lesser General Public License (LGPL)

         Copyright (c) 2024 Xin He, Liu-Group

This software is a product of Xin's PhD research conducted by Professor Liu's Group at the College of Chemistry and Molecular Engineering, Peking University. All rights are reserved by Peking University. You should have received a copy of the GNU Lesser General Public License along with this software. If not, see https://www.gnu.org/licenses/lgpl-3.0.en.html

revision:

Date	Description
2024-03-29	Initial version.

Definition in file vars_list.h.